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Title: Order parameter re-mapping algorithm for 3D phase field model of grain growth using FEM

Journal Article · · Computational Materials Science
 [1];  [1];  [1];  [1]
  1. Idaho National Lab. (INL), Idaho Falls, ID (United States)
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Phase field modeling (PFM) is a well-known technique for simulating microstructural evolution. To model grain growth using PFM, typically each grain is assigned a unique non-conserved order parameter and each order parameter field is evolved in time. Traditional approaches using a one-to-one mapping of grains to order parameters present a challenge when modeling large numbers of grains due to the computational expense of using many order parameters. This problem is exacerbated when using an implicit finite element method (FEM), as the global matrix size is proportional to the number of order parameters. While previous work has developed methods to reduce the number of required variables and thus computational complexity and run time, none of the existing approaches can be applied for an implicit FEM implementation of PFM. Here, we present a modular, dynamic, scalable reassignment algorithm suitable for use in such a system. Polycrystal modeling with grain growth and stress require careful tracking of each grain’s position and orientation which is lost when using a reduced order parameter set. In conclusion, the method presented in this paper maintains a unique ID for each grain even after reassignment, to allow the PFM to be tightly coupled to calculations of the stress throughout the polycrystal. Implementation details and comparative results of our approach are presented.

Research Organization:
Idaho National Laboratory (INL), Idaho Falls, ID (United States)
Sponsoring Organization:
USDOE
Grant/Contract Number:
AC07-05ID14517
OSTI ID:
1251422
Alternate ID(s):
OSTI ID: 1341111
Report Number(s):
INL/JOU-16-37562; PII: S0927025615008186
Journal Information:
Computational Materials Science, Vol. 115, Issue C; ISSN 0927-0256
Publisher:
ElsevierCopyright Statement
Country of Publication:
United States
Language:
English
Citation Metrics:
Cited by: 37 works
Citation information provided by
Web of Science

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Cited By (4)

Mesoscale Modeling of High Burn-Up Structure Formation and Evolution in UO2 journal October 2019
An Experimentally Validated Mesoscale Model of Thermal Conductivity of a UO2 and BeO Composite Nuclear Fuel journal October 2019
3D non-isothermal phase-field simulation of microstructure evolution during selective laser sintering journal August 2019
Non-isothermal Phase-Field Modeling of Heat–Melt–Microstructure-Coupled Processes During Powder Bed Fusion journal April 2020

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Related Subjects

36 MATERIALS SCIENCE
97 MATHEMATICS AND COMPUTING
PF method
finite element
grain growth
3D modeling
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